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Ho4Mg2AlIn

Alexandria ALEX

Alex-ID: agm031031069 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Ho4Mg2AlIn
Alex-ID
agm031031069
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
202.59
ų
Cell a
9.0671
Å
Cell b
9.0671
Å
Cell c
9.0671
Å
α angle
33.53
°
β angle
33.53
°
γ angle
33.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Mg2AlIn
Ho
4.00 · 50.0%
Mg
2.00 · 25.0%
Al
1.00 · 12.5%
In
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2873
eV/atom
Corrected total energy
-30.3168
eV
Raw total energy
-30.3168
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9621
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_882_spg12

Decomposition

Ho4Mg2AlIn

Computed at

2024-11-15 06:14:16.143713

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031031069).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX 
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm031031069
data_agm031031069
_cell_length_a     9.06709
_cell_length_b     9.06709
_cell_length_c     9.06709
_cell_angle_alpha  33.53087
_cell_angle_beta   33.53087
_cell_angle_gamma  33.53087
_cell_volume       202.58769
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ho1 Ho 0.37233 0.37233 0.37233 1.00000
  Ho2 Ho 0.87775 0.87775 0.87775 1.00000
  Ho3 Ho 0.12225 0.12225 0.12225 1.00000
  Ho4 Ho 0.62767 0.62767 0.62767 1.00000
  Mg1 Mg 0.75057 0.75057 0.75057 1.00000
  Mg2 Mg 0.24943 0.24943 0.24943 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  In1 In 0.50000 0.50000 0.50000 1.00000
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